bis(adamantan-1-yl)(butyl)phosphane

• ChemBase ID: 287114
• Molecular Formular: C24H39P
• Molecular Mass: 358.540221
• Monoisotopic Mass: 358.27893788
• SMILES: CCCCP(C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2
• Canonical SMILES: CCCCP(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C24H39P/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24/h17-22H,2-16H2,1H3
• InChIKey: HTJWUNNIRKDDIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(adamantan-1-yl)(butyl)phosphane
• IUPAC Traditional name: bis(adamantan-1-yl)(butyl)phosphane
• Synonyms: Di(adamantan-1-yl)(butyl)phosphine

Database IDs

• CAS Number: 321921-71-5
• MDL Number: MFCD05861606
• PubChem SID: 180672645
• PubChem CID: 11371790

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.936951
• LogD (pH = 7.4): 4.9369526
• Log P: 4.9529
• Molar Refractivity: 112.109 cm^3
• Polarizability: 43.31061 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%